HRID1151915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：CCOC(=O)c1cn(Cc2ccc3c(c2)CCC3NC(=O)OCc2ccccc2)nc1C(F)(F)F

HCID67088120

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21)OCc1ccccc1

HCID67088172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59ae209f5635411ab6e1e251885d219c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Al+3:37].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH2:14][c:15]2[cH:16][c:17]([CH2:21][n:22]3[n:23][c:24]([C:32]([F:33])([F:34])[F:35])[c:25]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:26]3)[cH:18][cH:19][c:20]21.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[H-:36].[H-:39].[H-:40].[H-:41].[Li+:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][CH2:14][c:15]2[cH:16][c:17]([CH2:21][n:22]3[n:23][c:24]([C:32]([F:33])([F:34])[F:35])[c:25]([CH2:27][OH:28])[cH:26]3)[cH:18][cH:19][c:20]21